Crinecerfont

Name: Crinecerfont — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₇H₂₈ClFN₂OS — CID 5282340

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Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-(2-chloro-4-methoxy-5-methylphenyl)-N-[(1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl]-5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine

SMILESC#CCN(c1nc(-c2cc(C)c(OC)cc2Cl)c(C)s1)[C@@H](CC1CC1)c1ccc(C)c(F)c1

InChIInChI=1S/C27H28ClFN2OS/c1-6-11-31(24(13-19-8-9-19)20-10-7-16(2)23(29)14-20)27-30-26(18(4)33-27)21-12-17(3)25(32-5)15-22(21)28/h1,7,10,12,14-15,19,24H,8-9,11,13H2,2-5H3/t24-/m0/s1

InChIKeyIEAKXXNRGSLYTQ-DEOSSOPVSA-N

MW483.05 g/mol

LogP7.52

Rot. Bonds8

About Crinecerfont

Crinecerfont (PubChem CID 5282340) has the molecular formula C₂₇H₂₈ClFN₂OS and a molecular weight of 483.05 g/mol. Its IUPAC name is 4-(2-chloro-4-methoxy-5-methylphenyl)-N-[(1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl]-5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name	Crinecerfont
PubChem CID	5282340
Molecular Formula	C₂₇H₂₈ClFN₂OS
Molecular Weight	483.05 g/mol
Exact Mass	482.16
IUPAC Name	4-(2-chloro-4-methoxy-5-methylphenyl)-N-[(1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl]-5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine
SMILES	C#CCN(c1nc(-c2cc(C)c(OC)cc2Cl)c(C)s1)[C@@H](CC1CC1)c1ccc(C)c(F)c1
InChI	InChI=1S/C27H28ClFN2OS/c1-6-11-31(24(13-19-8-9-19)20-10-7-16(2)23(29)14-20)27-30-26(18(4)33-27)21-12-17(3)25(32-5)15-22(21)28/h1,7,10,12,14-15,19,24H,8-9,11,13H2,2-5H3/t24-/m0/s1
InChIKey	IEAKXXNRGSLYTQ-DEOSSOPVSA-N
XLogP	7.52
TPSA	25.36 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	8
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.05
LogP ≤ 5	7.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Crinecerfont?

The IUPAC name of Crinecerfont (CID 5282340) is 4-(2-chloro-4-methoxy-5-methylphenyl)-N-[(1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl]-5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine.

What is the SMILES notation for Crinecerfont?

The canonical SMILES for Crinecerfont is C#CCN(c1nc(-c2cc(C)c(OC)cc2Cl)c(C)s1)[C@@H](CC1CC1)c1ccc(C)c(F)c1.

What is the InChIKey of Crinecerfont?

The InChIKey is IEAKXXNRGSLYTQ-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H28ClFN2OS/c1-6-11-31(24(13-19-8-9-19)20-10-7-16(2)23(29)14-20)27-30-26(18(4)33-27)21-12-17(3)25(32-5)15-22(21)28/h1,7,10,12,14-15,19,24H,8-9,11,13H2,2-5H3/t24-/m0/s1.

What are the key properties of Crinecerfont?

Crinecerfont has a molecular weight of 483.05 g/mol, XLogP of 7.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Crinecerfont is sourced from PubChem (CID 5282340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: N · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 5282340 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 5844 — approved-drug record (CC BY-SA 4.0)

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